AG002GT2

18829-55-5 | 2-Heptenal, (2E)-

AG002GT2

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CAS Number	18829-55-5
Catalog Number	AG002GT2(AGN-PC-0O5RCJ)
Chemical Name	2-Heptenal, (2E)-
FEMA Number	3165
IUPAC Name	(E)-hept-2-enal
InChI	InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
InChI Key	NDFKTBCGKNOHPJ-AATRIKPKSA-N
MDL Number	MFCD00007010
Molecular Formula	C7H12O
Molecular Weight	112.1696
SMILES	C(\C=C\CCCC)=O
UNII	4NJZ8GMQ6F
Synonyms	2-hept-enal, 2-heptenal, 2-heptenal, (E)-isomer, (E)-Hept-2-enal, trans-2-Heptenal, 18829-55-5, 2-HEPTENAL, Butylacrolein, 3-Butylacrolein, 2-Heptenal, (E)-, (E)-2-Hepten-1-al, beta-Butylacrolein, trans-2-Hepten-1-al, hept-2-enal, 2-Heptenal, (2E)-, (E)-2-Heptenal, 2463-63-0, UNII-4NJZ8GMQ6F, FEMA No. 3165, CCRIS 3505, CCRIS 4566, Heptenal, (E)-, (2E)-2-Heptenal, EINECS 219-563-0, EINECS 242-608-0, 4NJZ8GMQ6F, BRN 1700822, BRN 1745160, AI3-36270, MFCD00007010, Heptenal, 2-hept-enal, CHEBI:61724, alpha-Heptenal, 2-trans-Heptenal, (2e)-heptenal, Hept-trans-2-enal, .beta.-Butylacrolein, Hept-2(E)-enal, Hept-(E)-2-enal, n-Hept-trans-2-enal, AC1Q2UPE, trans-2-Heptenal, 97%, AC1NR20B, 29381-66-6, 3-01-00-03002 (Beilstein Handbook Reference), 4-01-00-03478 (Beilstein Handbook Reference), SCHEMBL120185, CHEMBL454759, Jsp003863, DTXSID4062436, FEMA 3165, NDFKTBCGKNOHPJ-AATRIKPKSA-N, ZINC2017189, LMFA06000019, trans-2-Heptenal, analytical standard, AKOS015915525, AJ-32636, AN-18821, AS-35008, CJ-31357, LS-74539, LS-74540, AB1005979, DB-044672, RT-003630, ST24026355, trans-2-Heptenal, >=95%, stabilized, FG, A813217, I14-6229, W-107756, null, Tran-2-heptonal, Hept-cis-2-enal, -hept-2-enal, (Z)-Hept-2-enal, 2-Heptenal, (Z)-, 2-heptenal, (E)-isomer, C7H12O, C-H12-O, C7-H12-O, CID5283316, trans-2-Heptenal, 95% - 25ML 25ml, H0579, C064600, 57266-86-1,

Complexity	74.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	112.089g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.172g/mol
Monoisotopic Mass	112.089g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H315-H319-H226-H302-H311-H317-H332-H302+H332
Packing Group	Ⅲ
Precautionary statements	P280-P312-P210-P233-P240-P241+P242+P243-P264-P270-P301+P312+P330-P302+P352+P312+P361+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P405-P501
UN Code	UN 1988

Certificate of Analysis

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