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13633-28-8 | Benzene, 1,2-heptadien-1-yl-
CAS No: 13633-28-8 Catalog No: AG0011NC MDL No:
Product Description
Catalog Number:
AG0011NC
Chemical Name:
Benzene, 1,2-heptadien-1-yl-
CAS Number:
13633-28-8
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
hepta-1,2-dienylbenzene
InChI:
InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h5-6,8-12H,2-4H2,1H3
InChI Key:
QQVBUZSBTXMEAV-UHFFFAOYSA-N
SMILES:
CCCCC=C=Cc1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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