AG00BD4L

27876-94-4 | 8,8'-Diapocarotenedioic acid

AG00BD4L

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CAS Number	27876-94-4
Catalog Number	AG00BD4L(AGN-PC-0R3J0Y)
Chemical Name	8,8'-Diapocarotenedioic acid
EC Number	248-708-0
IUPAC Name	(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
InChI	InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
InChI Key	PANKHBYNKQNAHN-MQQNZMFNSA-N
MDL Number	MFCD00017359
Molecular Formula	C20H24O4
Molecular Weight	328.4022
SMILES	O=C(O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=O
UNII	20TC155L9C
Synonyms	crocetin, crocetin sodium salt, Crocetin, 27876-94-4, Transcrocetin, 8,8'-Diapocarotenedioic acid, trans-Crocetin, Croceic acid, Natural yellow 6, 8,8'-Diapocarotene-8,8'-dioic acid, 8,8'-Diapo-psi,psi-carotenedioic acid, CCRIS 7484, EINECS 248-708-0, NSC 407300, UNII-20TC155L9C, CHEBI:3918, CHEMBL464792, 20TC155L9C, .alpha.-Crocetin, Transcrocetin [INN], (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid, alpha Crocetin, Crocetin aglycon, NSC407300, 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid, CI 75100, AC1NQY8F, AC1Q1QUZ, 8,8'-Diapo-.psi.,.psi.-carotenedioic acid, 8,8-Diapocarotenedioic acid, SCHEMBL20977, 8,8''-diapocarotenedioic acid, 2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedoic acid, HY-N2072, ZINC4097701, BDBM50269617, MFCD00017359, 8,8'-diapo-8,8'-carotenedioic acid, AKOS022186332, LMPR0104010020, 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)-, 8,8''-diapo-psi,psi-carotenedioic acid, 8,8''-diapo-8,8''-carotenedioic acid, AJ-95340, SC-85500, LS-174200, CS-0018577, C08588, Q-100354, 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI), 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-E)-, (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid8,8''-diapocarotene-8,8''-dioic acid, Transcrocetinate, Trappsol Cyclo, crocetin sodium salt, C20H24O4, ACN-041305, C20-H24-O4, CID5281232, C010561, 8, 8'- diapo- .psi., .psi.- carotenedioic acid, (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid, 42553-65-1,

Complexity	608
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	7
Exact Mass	328.167g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	328.408g/mol
Monoisotopic Mass	328.167g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number