AG002WOY

2883-45-6 | Hepta-1,6-dien-4-ol

AG002WOY

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CAS Number	2883-45-6
Catalog Number	AG002WOY(AGN-PC-0JKDQO)
Chemical Name	Hepta-1,6-dien-4-ol
EC Number	220-742-0
IUPAC Name	hepta-1,6-dien-4-ol
InChI	InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2
InChI Key	UTGFOWQYZKTZTN-UHFFFAOYSA-N
MDL Number	MFCD00008663
Molecular Formula	C7H12O
Molecular Weight	112.1696
NSC Number	97509
SMILES	C=CCC(O)CC=C
Synonyms	Hepta-1,6-dien-4-ol, 1,6-HEPTADIEN-4-OL, 2883-45-6, 1,6-Heptadiene-4-ol, EINECS 220-742-0, NSC 97509, BRN 1736942, AI3-37263, 1,6-Heptadien-4-ol, 97%, UTGFOWQYZKTZTN-UHFFFAOYSA-N, diallylcarbinol, NSC97509, MFCD00008663, PubChem13740, 4-hepta-1,6-dienol, ACMC-1CEI5, Intermediates-ZCF02285, 4-hydroxy-1,6-heptadiene, AC1L2AX8, 4-01-00-02249 (Beilstein Handbook Reference), SCHEMBL347521, AMOT0236, CTK1A7199, ZINC1632707, BBL104178, NSC-97509, STL557992, AKOS005259695, AM85702, CJ-26293, LS-74220, AB0076452, DB-068013, TR-012660, FT-0607013, KS-00001018, Z-0047, 883H456, A819623, J-017286, I14-27190, C7-H12-O, CID17902,

Complexity	66.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.089g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.172g/mol
Monoisotopic Mass	112.089g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P270-P301+P312-P210
UN Code	UN 1987

Certificate of Analysis

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